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Substance Name: 3-Thiazolidinepropanoic acid, 5-((4-(bis(2-chloroethyl)amino)phenyl)methylene)-4-oxo-2-thioxo-, compd. with 2,2'-iminobis(ethanol) (1:1)
RN: 101018-62-6
InChIKey: VSOKCKFCPCIACX-JHGYPSGKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-Cl2-N2-O3-S2.C4-H11-N-O2

Molecular Weight

  • 538.5141
 
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Names and Synonyms

  • 3-Thiazolidinepropanoic acid, 5-((4-(bis(2-chloroethyl)amino)phenyl)methylene)-4-oxo-2-thioxo-, compd. with 2,2'-iminobis(ethanol) (1:1)

Registry Numbers

CAS Registry Number

  • 101018-62-6

System Generated Number

  • 0101018626

Molecular Formulas

Molecular Formula

  • C17-H18-Cl2-N2-O3-S2.C4-H11-N-O2

Molecular Formula Fragments

  • C17-H18-Cl2-N2-O3-S2
  • C4-H11-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H18Cl2N2O3S2.C4H11NO2/c18-6-9-20(10-7-19)13-3-1-12(2-4-13)11-14-16(24)21(17(25)26-14)8-5-15(22)23;6-3-1-5-2-4-7/h1-4,11H,5-10H2,(H,22,23);5-7H,1-4H2/b14-11+;

InChIKey

VSOKCKFCPCIACX-JHGYPSGKSA-N

Smiles

c1cc(ccc1/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O)N(CCCl)CCCl.C(CO)NCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 19, Pg. 544, 1985.